Wed May 08 09:21:22.959 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:21:22.975 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_34\1\pdata\1
Wed May 08 09:21:22.991 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:21:23.006 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:21:23.006 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:21:23.037 CEST 2019: No HSQC data available
Wed May 08 09:21:23.053 CEST 2019: No C13 data available
Wed May 08 09:21:23.069 CEST 2019: No HMBC data available
Wed May 08 09:21:23.084 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:21:23.115 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:21:23.780 CEST 2019: Structure is used: true
Wed May 08 09:21:23.795 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_34/1/75.mol
Wed May 08 09:21:23.811 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.67 s.
Wed May 08 09:21:23.827 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:21:23.827 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:21:23.842 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:21:23.842 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:21:23.858 CEST 2019: Spectrum is suppressed.
Wed May 08 09:21:23.858 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:21:23.874 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:21:23.874 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:21:23.889 CEST 2019: Expected impurity: TSP
Wed May 08 09:21:23.889 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:21:23.905 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 09:21:23.905 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 09:21:23.920 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:21:23.920 CEST 2019: RMSD noise: 764.427 (8.886/8.386)
Wed May 08 09:21:23.936 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:21:23.952 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:21:23.952 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:21:23.983 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:21:24.139 CEST 2019: Number of Peaks: (40, 21)
Wed May 08 09:21:24.139 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 09:21:24.155 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:21:24.155 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:21:24.170 CEST 2019: Signal-to-Noise ratio: 1132.80 (3.835 ppm)
Wed May 08 09:21:24.186 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:21:24.186 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:21:24.202 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Wed May 08 09:21:24.217 CEST 2019: Number of Multiplets: 53
Wed May 08 09:21:24.217 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed May 08 09:21:24.577 CEST 2019: Number of Peak Cluster: 14
Wed May 08 09:21:24.592 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.36 s.
Wed May 08 09:21:24.608 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Wed May 08 09:21:24.951 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Wed May 08 09:21:24.983 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:21:24.998 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:21:25.014 CEST 2019: Number of consistent PNS: 7
Wed May 08 09:21:25.014 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:21:25.030 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:21:36.162 CEST 2019: Number of ASL: 92
Wed May 08 09:21:36.170 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 11.14 s.
Wed May 08 09:21:36.444 CEST 2019: Elapsed time for evaluation (IN Suite): 0.26 s.
Wed May 08 09:21:36.459 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:21:37.061 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Wed May 08 09:21:37.061 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:21:37.077 CEST 2019: CMC-q finished in 14.12 s.
